1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone

C18H27NO4 — CID 7379667

IUPAC1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C18H27NO4/c1-14-12-19(13-15(2)23-14)7-8-21-9-10-22-18-6-4-5-17(11-18)16(3)20/h4-6,11,14-15H,7-10,12-13H2,1-3H3/t14-,15+
InChIKeyZWYPWFKFWGJITO-GASCZTMLSA-N
MW321.42 g/mol
LogP2.39
Rot. Bonds8

About 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone

1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 7379667) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
PubChem CID7379667
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCOCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C18H27NO4/c1-14-12-19(13-15(2)23-14)7-8-21-9-10-22-18-6-4-5-17(11-18)16(3)20/h4-6,11,14-15H,7-10,12-13H2,1-3H3/t14-,15+
InChIKeyZWYPWFKFWGJITO-GASCZTMLSA-N
XLogP2.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394006
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
CID 7379909
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone (CID 7379667) is 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1cccc(OCCOCCN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is ZWYPWFKFWGJITO-GASCZTMLSA-N. The full InChI is InChI=1S/C18H27NO4/c1-14-12-19(13-15(2)23-14)7-8-21-9-10-22-18-6-4-5-17(11-18)16(3)20/h4-6,11,14-15H,7-10,12-13H2,1-3H3/t14-,15+.
What are the key properties of 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone?
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 321.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 7379667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).